UCSF

ZINC51798666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 10.15 -38.34 1 6 1 56 387.5 9
Mid Mid (pH 6-8) 2.35 8.02 -11.28 0 6 0 55 386.492 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )